Dr. Abduljabar Al-Sayoud is an Assistant Professor at the Materials Science and Engineering Department. Dr. Abduljabar received his Ph.D. degree in Materials Science and Engineering from The University of Arizona, USA, in 2017, specialized in the area of the atomistic simulations of materials. Dr. Abduljabar’ s main research focus is on materials design using density functional theory and molecular dynamics. One of the first projects he worked on was to design molten salts for solar thermal storage using Raman spectroscopy and the interpretation of the experimental results using DFT models. After that, he worked on building advanced charge transfer potentials for MD from DFT. He also worked on the thermal conductivity of fullerene 2D materials using MD for metamaterial applications and the effect of doping on the thermoelectric performance of half-Heusler alloys. Currently, Dr. Abduljabar is an affiliate of the Interdisciplinary Research Center for Hydrogen and Energy Storage at KFUPM, focusing on designing metallic membranes for hydrogen separation.

Educational Qualification

• Ph.D.   Materials Science and Engineering, University of Arizona, USA, 2017
• M.Sc.   Materials Science and Engineering, King Abdullah University of Science and Technology, Saudi Arabia, 2010 
• B.Sc.    Mechanical Engineering, King Fahd University of Petroleum & Minerals, Dhahran, Saudi Arabia, 2008

Courses Taught

• ME 217      Materials Lab
• ME 216      Materials Science and Engineering
• MSE 203    Thermodynamics of materials
• MSE 449    Atomistic simulation of materials
• MSE 551    Integrated Computational Materials Science and Engineering (at the University of Arizona)
• MSE 549    Atomistic simulation of materials
• MSE502     Thermodynamics of materials
• MSE500     Materials survey
• MSE 541    Electronic properties of materials

Research Interest

Dr. Abduljabar' s interests lie in utilizing computational techniques in the form of modeling and atomistic simulations of materials using both classical molecular dynamics and density functional theory (DFT) to address the challenges present in the hydrogen and energy storage sector. Specifically, he is focused on using these tools to design materials that can be used as membranes in the hydrogen separation process. Moreover, his research is also focused on creating nano-engineered carbon-based materials to improve their mechanical properties.

Research Highlights

Representative Publications

• Al-Sayoud, Abduljabar Qassem Venkateswara Rao, M.; Edwards, A. N.; Deymier, P. A.; Muralidharan, K.; Potter, B. G.; Runge, K.; Lucas, P., Structure of ZnCl2 Melt. Part I: Raman Spectroscopy Analysis Driven by Ab Initio Methods. J. Phys. Chem. B 2016, 120, 4174-4181.
• Lucas, Pierre; Coleman, Garrett; Venkateswara Rao, Manga; Edwards, Angharad Naomi; Devaadithya, Chrishani ; Wei, Shuai ; Al-Sayoud, Abduljabar Qassem; Potter, Barrett; Muralidharan, Krishna; Deymier, Pierre., Structure of ZnCl2 Melt Part II: Fragile-to-Strong Transition in a Tetrahedral Liquid. J. Phys. Chem. B 2017, 121 (49), 11210-11218.
• Alsayoud, Abduljabar Qassem, Venkateswara Rao Manga, Krishna Muralidharan, Joshua Vita, Stefan Bringuier, Keith Runge and Pierre Deymier., Atomistic insights into the effect of polymerization on the thermophysical properties of 2-D C60 molecular solids. 2018, 133, 267-274.
• Wudil, YS; Gondal, MA; Rao, SG; Kunwar, S; Al-Sayoud, Abduljabar Qassem., Improved thermoelectric performance of ternary Cu/Ni/Bi2Te2.7Se0.3 nanocomposite prepared by pulsed laser deposition. Materials Chemistry and Physics. 2020, 253, 123321.
• Wudil, YS; Gondal, MA; Rao, SG; Kunwar, S; Al-Sayoud, Abduljabar Qassem., Substrate temperature-dependent thermoelectric figure of merit of nanocrystalline Bi2Te3 and Bi2Te2.7Se0.3 prepared using pulsed laser deposition supported by DFT study. Ceramics International. 2020, 46, 24162-24172.
• Wudil, YS; Gondal, MA; Almessiere, MA; Al-Sayoud, Abduljabar Qassem.; The multi-dimensional approach to synergistically improve the performance of inorganic thermoelectric materials: a critical review. Arabian Journal of Chemistry. 2021, 14, 103103.
• Shoaib, Hassan; Peng, Qing; Al-Sayoud, Abduljabar Qassem.; Atomic Insights into Fracture characteristics of Twisted Tri-layer Graphene. Crystals. 2021, 11, 1202. Impact factor (2.404)
• Alahmed, Ishaq I; Altanany, Sameh M; Abdulazeez, Ismail; Shoaib, Hassan; Al-Sayoud, Abduljabar Qassem; Abbout, Adel; Peng, Qing.; The Crack Angle of 60° Is the Most Vulnerable Crack Front in Graphene According to MD Simulations. Crystals. 2021, 11, 1355.
• Alqahtani, Saad M; Al-Sayoud, Abduljabar Qassem; Alharbi, Fahhad H; An approach based on random sampling and density functional theory to identify highly stable structures of ABX3 compounds. Computational Materials Science. 2021, 192, 110304.
• Habib, Mohamed A; Harale, Aadesh; Paglieri, Stephen; Alrashed, Firas S; Al-Sayoud, Abduljabar Qassem; Rao, Manga Venkateswara; Nemitallah, Medhat A; Hossain, Shorab; Hussien, Muzafar; Ali, Asif; M. A. Haque, Ahmed Abuelyamen; Mohammad Raghib Shakeel; Esmail M. A. Mokheimer; Rached Ben-Mansour; Palladium-Alloy Membrane Reactors for Fuel Reforming and Hydrogen Production: A Review. Energy & Fuels. 2021, 35, 5558-5593.
• Wudil, YS; Qing Peng, Al-Sayoud, Abduljabar Qassem*; Gondal, MA; Hydrostatic pressure-tuning of thermoelectric properties of CsSnI3 perovskite by first-principles calculations. Computational Materials Science. 2022, 192, 110917.
• Hassan Almousa; Qing Peng; Al-Sayoud, Abduljabar Qassem*; A Molecular Dynamics Study of the Stability and Mechanical Properties of a Nano-Engineered Fuzzy Carbon Fiber Composite. Journal of Composites Science. 2022, 6(2), 54.
• Habib, Mohamed A.; Haque, Md Azazul; Harale, Aadesh; Paglieri, Stephen; Alrashed, Firas; Al-Sayoud, Abduljabar Qassem; Nemitallah, Medhat; Hossain, Shorab; Abuelyamen, Ahmed ; Mokheimer, Esmail; Ben-Mansour, Rached; Palladium-alloy membrane reactors for fuel reforming and hydrogen production: Hydrogen Production Modeling. (submitted)
• Y.S. Wudil; Al-Sayoud, Abduljabar Qassem; Mohammed A Gondal; Adaptive boosting of weak regressors to predict the thermoelectric renewable energy figure of merit of Bi2Te3-based semiconducting materials Corresponding.(submitted)
• Ime Bassey Obot; Al-Sayoud, Abduljabar Qassem; Molecular Modeling for Corrosion Inhibitor Design. Recent Developments in Analytical Techniques for Corrosion Research. Springer, Cham. 2022. (Book Chapter)

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